N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide

C21H18N4O2 — CID 7080208

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1
InChIInChI=1S/C21H18N4O2/c1-14-7-8-15(19-13-25-10-4-9-22-21(25)24-19)12-18(14)23-20(26)16-5-3-6-17(11-16)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyHTERSACCKKYSIZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide (PubChem CID 7080208) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide
PubChem CID7080208
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1
InChIInChI=1S/C21H18N4O2/c1-14-7-8-15(19-13-25-10-4-9-22-21(25)24-19)12-18(14)23-20(26)16-5-3-6-17(11-16)27-2/h3-13H,1-2H3,(H,23,26)
InChIKeyHTERSACCKKYSIZ-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide (CID 7080208) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide?
The InChIKey is HTERSACCKKYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-7-8-15(19-13-25-10-4-9-22-21(25)24-19)12-18(14)23-20(26)16-5-3-6-17(11-16)27-2/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 7080208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).